N-(benzylideneamino)isoquinolin-3-amine

C16H13N3 — CID 85439372

IUPACN-(benzylideneamino)isoquinolin-3-amine
SMILESC(=NNc1cc2ccccc2cn1)c1ccccc1
InChIInChI=1S/C16H13N3/c1-2-6-13(7-3-1)11-18-19-16-10-14-8-4-5-9-15(14)12-17-16/h1-12H,(H,17,19)
InChIKeyCANNUSXTKMVILV-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.68
Rot. Bonds3

About N-(benzylideneamino)isoquinolin-3-amine

N-(benzylideneamino)isoquinolin-3-amine (PubChem CID 85439372) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(benzylideneamino)isoquinolin-3-amine.

Molecular Properties

Compound NameN-(benzylideneamino)isoquinolin-3-amine
PubChem CID85439372
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC NameN-(benzylideneamino)isoquinolin-3-amine
SMILESC(=NNc1cc2ccccc2cn1)c1ccccc1
InChIInChI=1S/C16H13N3/c1-2-6-13(7-3-1)11-18-19-16-10-14-8-4-5-9-15(14)12-17-16/h1-12H,(H,17,19)
InChIKeyCANNUSXTKMVILV-UHFFFAOYSA-N
XLogP3.68
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-benzylideneamino]-5-bromopyridin-2-amine
CID 70641725
N-(benzylideneamino)-5-(trifluoromethyl)pyridin-2-amine
CID 3937895
5-[(E)-(naphthalen-2-ylhydrazinylidene)methyl]pyrimidin-2-amine
CID 17019849
2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one
CID 137186661
N-[(Z)-benzylideneamino]-6-chloropyridazin-3-amine
CID 6413765
N-[(Z)-benzylideneamino]-2,6-bis(phenylmethoxy)pyrimidin-4-amine
CID 6286476
N-(benzylideneamino)-6-morpholin-4-ylpyrimidin-4-amine
CID 3091834
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
N-[(E)-benzylideneamino]-6-methoxypyridazin-3-amine
CID 139215659
N-[(E)-benzylideneamino]-4-methyl-1,3,5-triazin-2-amine
CID 121223490
4-N,6-N-bis[(E)-(4-chlorophenyl)methylideneamino]pyrimidine-4,6-diamine
CID 86279724
2,6-dibromo-4-[(E)-(quinolin-2-ylhydrazinylidene)methyl]phenol;hydrochloride
CID 163327922

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)isoquinolin-3-amine?
The IUPAC name of N-(benzylideneamino)isoquinolin-3-amine (CID 85439372) is N-(benzylideneamino)isoquinolin-3-amine.
What is the SMILES notation for N-(benzylideneamino)isoquinolin-3-amine?
The canonical SMILES for N-(benzylideneamino)isoquinolin-3-amine is C(=NNc1cc2ccccc2cn1)c1ccccc1.
What is the InChIKey of N-(benzylideneamino)isoquinolin-3-amine?
The InChIKey is CANNUSXTKMVILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-2-6-13(7-3-1)11-18-19-16-10-14-8-4-5-9-15(14)12-17-16/h1-12H,(H,17,19).
What are the key properties of N-(benzylideneamino)isoquinolin-3-amine?
N-(benzylideneamino)isoquinolin-3-amine has a molecular weight of 247.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)isoquinolin-3-amine is sourced from PubChem (CID 85439372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).